1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-1-ium

Systemtic Name: 1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-1-ium Openeye Name: 1-[1-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidyl]azepan-1-ium CAS Name: 1-[1-[[2-(trifluoromethyl)phenyl]methyl]-4-piperidinyl]azepan-1-ium IUPAC Name: 1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-1-ium Traditional Name: 1-[1-[2-(trifluoromethyl)benzyl]-4-piperidyl]azepan-1-ium Formula: C19H28F3N2+ MolecularWeight: 341.43423

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C2CCN(CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCC[NH+](CC1)C2CCN(CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H27F3N2/c20-19(21,22)18-8-4-3-7-16(18)15-23-13-9-17(10-14-23)24-11-5-1-2-6-12-24/h3-4,7-8,17H,1-2,5-6,9-15H2/p+1